6YU1
 
 | | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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5U21
 | | X-ray structure of the WlaRF aminotransferase from Campylobacter jejuni, K184A mutant in complex with TDP-Qui3N | | Descriptor: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
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7NBA
 | | Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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6BAR
 | | Crystal structure of Thermus thermophilus Rod shape determining protein RodA (Q5SIX3_THET8) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Rod shape determining protein RodA | | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | | Deposit date: | 2017-10-15 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
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5CO0
 | | Crystal Structure of the MTERF1 Y288A substitution bound to the termination sequence. | | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), POTASSIUM ION, ... | | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | | Deposit date: | 2015-07-18 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion.
J.Mol.Biol., 428, 2016
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3VOI
 | | CcCel6A catalytic domain complexed with p-nitrophenyl beta-D-cellotrioside | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside, Cellobiohydrolase, MAGNESIUM ION | | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | | Deposit date: | 2012-01-24 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
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5T4K
 | | PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation | | Descriptor: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, HTH-type transcriptional regulatory protein GabR | | Authors: | Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D. | | Deposit date: | 2016-08-29 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7NB8
 | | Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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5T4O
 | | Autoinhibited E. coli ATP synthase state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | | Deposit date: | 2016-08-29 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016
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3W1T
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095 | | Descriptor: | 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2012-11-21 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095
To be Published
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6Q2E
 | | Crystal structure of Methanobrevibacter smithii Dph2 bound to 5'-methylthioadenosine | | Descriptor: | 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-07 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
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6Q2P
 | | Crystal structure of mouse viperin bound to cytidine triphosphate and S-adenosylhomocysteine | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
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5T6P
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6QAG
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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5T74
 | | Human carboanhydrase F131C_C206S double mutant in complex with 14 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | | Deposit date: | 2016-09-02 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
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5T7N
 | | X-ray crystal structure of AA13 LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
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6QAZ
 | | Crystal structure of gp41-1 intein | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Mikula, K.M, Beyer, H.M, Li, M, Wlodawer, A, Iwai, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | The crystal structure of the naturally split gp41-1 intein guides the engineering of orthogonal split inteins from cis-splicing inteins.
Febs J., 287, 2020
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5T89
 | | Crystal structure of VEGF-A in complex with VEGFR-1 domains D1-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Vascular endothelial growth factor A, ... | | Authors: | Markovic-Mueller, S, Stuttfeld, E, Asthana, M, Weinert, T, Bliven, S, Goldie, K.N, Kisko, K, Capitani, G, Ballmer-Hofer, K. | | Deposit date: | 2016-09-07 | | Release date: | 2017-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure of the Full-length VEGFR-1 Extracellular Domain in Complex with VEGF-A.
Structure, 25, 2017
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5T4M
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6PU1
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5TAI
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6PUB
 | | Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the Complex with Crystal Violet | | Descriptor: | CHLORIDE ION, CRYSTAL VIOLET, Chloramphenicol acetyltransferase, ... | | Authors: | Kim, Y, Maltseva, N, Kuhn, M, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-18 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the Complex with Crystal Violet
To Be Published
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5T6I
 | | CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB | | Descriptor: | 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | | Authors: | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
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6B7V
 | | Structure of hen egg-white lysozyme pre-treated with high-pressure homogenization at 120 MPa | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | | Deposit date: | 2017-10-05 | | Release date: | 2018-07-25 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme
Innov Food Sci Emerg Technol, 47, 2018
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5TBF
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